Crystallography Open Database

Information card for entry 4510122

Preview

Coordinates	4510122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 N6 O22 P5 U2 Zn
Calculated formula	C20 H26 N6 O22 P5 U2 Zn
Title of publication	Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands
Authors of publication	Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1366
a	9.536 ± 0.002 Å
b	28.337 ± 0.007 Å
c	13.672 ± 0.004 Å
α	90°
β	93.694 ± 0.005°
γ	90°
Cell volume	3686.8 ± 1.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179648 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/01.	4510122.cif
106339	2014-03-15	cif/ Adding structures of 4510122, 4510123, 4510124, 4510125, 4510126 via cif-deposit CGI script.	4510122.cif